6'-Hydroxy-2',4'-dimethoxychalcone
PubChem CID: 242589
Connections displayed (default: 10).
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| Compound Synonyms | Spectrum_001933, Spectrum2_000176, Spectrum3_000227, Spectrum4_001564, KBioGR_002088, KBioSS_002478, SPBio_000071, KBio2_002471, KBio2_005039, KBio2_007607, KBio3_001373, BCP16410, 6'-hydroxy-2',4'-dimethoxychalcone, AKOS030241157, NCI60_004241, DB-044304, 4\',6\'-DIMETHOXY-2\'-HYDROXYCHALCONE, Q27164253 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QKQLSQLKXBHUSO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.354 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.46 |
| Compound Name | 6'-Hydroxy-2',4'-dimethoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.108485342857143 |
| Inchi | InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3 |
| Smiles | COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Smilax Aspera (Plant) Rel Props:Source_db:cmaup_ingredients